(3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol

C11H15FN4O3 — CID 142854857

IUPAC(3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol
SMILESC[C@@H](O)C(CO)OCn1cc(F)c2c(N)ncnc21
InChIInChI=1S/C11H15FN4O3/c1-6(18)8(3-17)19-5-16-2-7(12)9-10(13)14-4-15-11(9)16/h2,4,6,8,17-18H,3,5H2,1H3,(H2,13,14,15)/t6-,8?/m1/s1
InChIKeySYTYFZASFVSDDM-XPJFZRNWSA-N
MW270.26 g/mol
LogP-0.13
Rot. Bonds5

About (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol

(3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol (PubChem CID 142854857) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol.

Molecular Properties

Compound Name(3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol
PubChem CID142854857
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name(3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol
SMILESC[C@@H](O)C(CO)OCn1cc(F)c2c(N)ncnc21
InChIInChI=1S/C11H15FN4O3/c1-6(18)8(3-17)19-5-16-2-7(12)9-10(13)14-4-15-11(9)16/h2,4,6,8,17-18H,3,5H2,1H3,(H2,13,14,15)/t6-,8?/m1/s1
InChIKeySYTYFZASFVSDDM-XPJFZRNWSA-N
XLogP-0.13
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol with MolForge

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Related Compounds

(3R)-3-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol
CID 70829931
(3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol
CID 70829930
(2R,3S,4S)-2-(3,5,7,9,12-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-3-ylmethoxy)pentane-1,3,4-triol
CID 70961937
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 73009197
(2R,3R,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 90191232
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 72614501
(2S)-2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butan-1-ol
CID 89097734
(2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol
CID 143936926
2-[(6-amino-8-bromopurin-9-yl)methoxy]propane-1,3-diol
CID 71324086
1-[4-amino-5-(4-amino-3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-2-ol
CID 162365122
2-[(6-aminopurin-9-yl)methoxy]-3-chloropropan-1-ol
CID 14410788

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol?
The IUPAC name of (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol (CID 142854857) is (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol.
What is the SMILES notation for (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol?
The canonical SMILES for (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol is C[C@@H](O)C(CO)OCn1cc(F)c2c(N)ncnc21.
What is the InChIKey of (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol?
The InChIKey is SYTYFZASFVSDDM-XPJFZRNWSA-N. The full InChI is InChI=1S/C11H15FN4O3/c1-6(18)8(3-17)19-5-16-2-7(12)9-10(13)14-4-15-11(9)16/h2,4,6,8,17-18H,3,5H2,1H3,(H2,13,14,15)/t6-,8?/m1/s1.
What are the key properties of (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol?
(3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol has a molecular weight of 270.26 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol is sourced from PubChem (CID 142854857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).